61145-39-9

Name 2-[(2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyl)thio]acetonitrile
CAS 61145-39-9
Molecular Formula C16H21NO9S
MDL Number MFCD00070192
Molecular Weight 403.4
MOL File 61145-39-9.mol
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Chemical Properties

Melting point  129-131 °C(Solv: methanol (67-56-1))
Boiling point  493.4±45.0 °C(Predicted)
density  1.33±0.1 g/cm3(Predicted)
InChI InChI=1/C16H21NO9S/c1-8(18)22-7-12-13(23-9(2)19)14(24-10(3)20)15(25-11(4)21)16(26-12)27-6-5-17/h12-16H,6-7H2,1-4H3/t12-,13-,14+,15+,16-/s3
InChIKey ZNQCXCWNORCJGV-IKACPKQFNA-N
SMILES C(#N)CS[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O |&1:4,6,12,17,22,r|

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